SCHEMBL7800875

SCHEMBL7800875

CCC1SC(=O)N(Cc2ccc(NS(C)(=O)=O)cc2)N=C1c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.53
PDE4A P27815 18/20 0.53
PDE4B Q07343 17/20 0.53
PDE4C Q08493 17/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7792921 0.92 PDE4D (0.47) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798782 0.89 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7800513 0.88 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802865 0.87 PDE4A (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798856 0.87 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL7792755 0.87 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL7801817 0.87 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL6972981 0.87 PDE4D (0.58) PDE4DPDE4APDE4BPDE4C
SCHEMBL7792938 0.87 PDE4A (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802760 0.86 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723962-B1 Arylalkyl-thiadiazinones MERCK PATENT GMBH (DE) 2001-07-04 EP disclosed
US-6025354-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-15 US disclosed
US-5747489-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed
EP-0723962-A1 Arylalkyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed